SCHEMBL21166368

SCHEMBL21166368

CCCCCCCC(C)(CCCC)CN(CC)C(=O)/C=C/CN(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.32
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19176483 0.96 RXRA (0.33) RXRARXRBRXRGZDHHC20
SCHEMBL24690506 0.94 RXRA (0.33) RXRARXRBRXRGZDHHC20
SCHEMBL19801129 0.91 NPC1 (0.31) RXRARXRBRXRGNPC1L3MBTL1
SCHEMBL21166373 0.89 RXRA (0.34) RXRARXRBRXRGZDHHC20
SCHEMBL18737544 0.88 RXRA (0.34) RXRARXRBRXRGZDHHC20NPC1
SCHEMBL18999618 0.88 RXRA (0.34) RXRARXRBRXRGZDHHC20NPC1
SCHEMBL18431662 0.88 NPC1 (0.33) RXRARXRBRXRGNPC1L3MBTL1
SCHEMBL22420051 0.86 RXRA (0.35) RXRARXRBRXRG
SCHEMBL22039955 0.85 RXRA (0.36) RXRARXRBRXRG
SCHEMBL19069345 0.85 RXRA (0.33) RXRARXRBRXRG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774052-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2020-09-15 US disclosed
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases CELGENE CAR LLC (BM) 2020-04-14 US disclosed
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-07-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218220-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC RXRA 3816/4885RXRB 3600/4885RXRG 3593/4885
US-10774052-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 RXRA 1018/4885RXRB 949/4885RXRG 1099/4885
US-10618902-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of protein kinases PDXK, DCK, DTYMK RXRA 3722/4885RXRB 3259/4885RXRG 3752/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.